source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp@ c67518

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Last change on this file since c67518 was c67518, checked in by Frederik Heber <heber@…>, 13 years ago

GL: molecules show if they're selected (mostly dummy)

  • adden new GLMoleculeObject_molecule class (without mesh)
  • draws a cube if molecule is selected (does NOT use correct position/size yet!)
  • Property mode set to 100644
File size: 6.3 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * GLMoleculeObject_atom.cpp
10 *
11 * Created on: Aug 17, 2011
12 * Author: heber
13 */
14
15// include config.h
16#ifdef HAVE_CONFIG_H
17#include <config.h>
18#endif
19
20#include "GLMoleculeObject_atom.hpp"
21
22#include <Qt3D/qglbuilder.h>
23#include <Qt3D/qglscenenode.h>
24#include <Qt3D/qglsphere.h>
25
26#include "CodePatterns/MemDebug.hpp"
27
28#include "CodePatterns/Assert.hpp"
29#include "CodePatterns/Log.hpp"
30#include "CodePatterns/Observer/Notification.hpp"
31
32#include "Atom/atom.hpp"
33#include "Bond/bond.hpp"
34#include "Descriptors/AtomIdDescriptor.hpp"
35#include "Element/element.hpp"
36#include "LinearAlgebra/Vector.hpp"
37#include "GLMoleculeObject_bond.hpp"
38#include "World.hpp"
39
40static QGLSceneNode * createAtom(QObject *parent)
41{
42 QGLBuilder builder;
43 builder << QGLSphere(0.5);
44 QGLSceneNode *n = builder.finalizedSceneNode();
45 n->setParent(parent);
46 return n;
47}
48
49GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
50 GLMoleculeObject(createAtom(parent), parent),
51 Observer(std::string("GLMoleculeObject_atom")+toString(atomref->getId())),
52 _atom(atomref)
53{
54 // sign on as observer (obtain non-const instance before)
55 atomref->signOn(this, AtomObservable::IndexChanged);
56 atomref->signOn(this, AtomObservable::PositionChanged);
57 atomref->signOn(this, AtomObservable::ElementChanged);
58 atomref->signOn(this, AtomObservable::BondsAdded);
59 World::getInstance().signOn(this, World::SelectionChanged);
60
61 // set the object's id
62 resetProperties();
63
64 LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
65
66 connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
67}
68
69GLMoleculeObject_atom::~GLMoleculeObject_atom()
70{
71 _atom->signOff(this, AtomObservable::IndexChanged);
72 _atom->signOff(this, AtomObservable::PositionChanged);
73 _atom->signOff(this, AtomObservable::ElementChanged);
74 _atom->signOff(this, AtomObservable::BondsAdded);
75 World::getInstance().signOff(this, World::SelectionChanged);
76}
77
78void GLMoleculeObject_atom::update(Observable *publisher)
79{
80#ifdef LOG_OBSERVER
81 observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
82#endif
83 resetProperties();
84}
85
86void GLMoleculeObject_atom::resetPosition()
87{
88 const Vector Position = _atom->getPosition();
89 LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
90 setPosition(QVector3D(Position[0], Position[1], Position[2]));
91}
92
93void GLMoleculeObject_atom::resetElement()
94{
95 size_t elementno = 0;
96 if (_atom->getType() != NULL) {
97 elementno = _atom->getType()->getAtomicNumber();
98 } else { // if no element yet, set to hydrogen
99 elementno = 1;
100 }
101 LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
102
103 // set materials
104 QGLMaterial *elementmaterial = getMaterial(elementno);
105 ASSERT(elementmaterial != NULL,
106 "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
107 setMaterial(elementmaterial);
108 QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
109 ASSERT(hovermaterial != NULL,
110 "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
111 setHoverMaterial(hovermaterial);
112 QGLMaterial *selectionmaterial = getMaterial(65536); // 65536 is the selection material
113 ASSERT(selectionmaterial != NULL,
114 "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for selection is NULL.");
115 setSelectionMaterial(selectionmaterial);
116
117 // set scale
118 double radius = 0.;
119 if (_atom->getType() != NULL) {
120 radius = _atom->getType()->getVanDerWaalsRadius();
121 } else {
122 radius = 0.5;
123 }
124 setScale( radius );
125}
126
127void GLMoleculeObject_atom::resetIndex()
128{
129 const size_t atomno = _atom->getId();
130 LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
131 setObjectId(atomno);
132}
133
134void GLMoleculeObject_atom::resetProperties()
135{
136 // set position
137 resetPosition();
138
139 // set element
140 resetElement();
141
142 // set the object's id
143 resetIndex();
144
145 // selected?
146 setSelected(World::getInstance().isSelected(_atom));
147}
148
149void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
150{}
151
152void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
153{
154 if (publisher == dynamic_cast<const Observable*>(_atom)){
155 // notofication from atom
156#ifdef LOG_OBSERVER
157 observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
158 << " received notification from atom " << _atom->getId() << " for channel "
159 << notification->getChannelNo() << ".";
160#endif
161 switch (notification->getChannelNo()) {
162 case AtomObservable::ElementChanged:
163 resetElement();
164 emit changed();
165 break;
166 case AtomObservable::IndexChanged:
167 resetIndex();
168 break;
169 case AtomObservable::PositionChanged:
170 resetPosition();
171 emit changed();
172 break;
173 case AtomObservable::BondsAdded:
174 {
175 ASSERT(!_atom->getListOfBonds().empty(),
176 "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
177 const bond * _bond = *(_atom->getListOfBonds().rbegin());
178 const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
179 GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
180 emit BondsInserted(_bond, side);
181 break;
182 }
183 default:
184 //setProperties();
185 break;
186 }
187 }else{
188 // notification from world
189#ifdef LOG_OBSERVER
190 observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
191 << " received notification from world for channel "
192 << notification->getChannelNo() << ".";
193#endif
194 switch (notification->getChannelNo()) {
195 case World::SelectionChanged:
196 setSelected(World::getInstance().isSelected(_atom));
197 break;
198 default:
199 break;
200 }
201 }
202}
203
204void GLMoleculeObject_atom::wasClicked()
205{
206 LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
207 emit clicked(_atom->getId());
208}
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